1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione

C12H12ClNO2 — CID 81109377

IUPAC1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESC=C(Cl)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H12ClNO2/c1-8(13)7-14-10-3-2-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7H2
InChIKeyIGCZVLFTMBRCBW-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.12
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109377) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109377
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESC=C(Cl)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H12ClNO2/c1-8(13)7-14-10-3-2-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7H2
InChIKeyIGCZVLFTMBRCBW-UHFFFAOYSA-N
XLogP2.12
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109377) is 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione is C=C(Cl)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is IGCZVLFTMBRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-8(13)7-14-10-3-2-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7H2.
What are the key properties of 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 237.69 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).